UCSF

ZINC08846214

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.99 2.67 -14.5 0 7 0 89 505.324 4
Lo Low (pH 4.5-6) 4.99 2.83 -37.19 1 7 1 90 506.332 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )